[4-(2-acetamido-6-chloranyl-purin-9-yl)-2,3-bis(oxidanyl)cyclopentyl] ethanoate

Systemtic Name: [4-(2-acetamido-6-chloranyl-purin-9-yl)-2,3-bis(oxidanyl)cyclopentyl] ethanoate Openeye Name: [4-(2-acetamido-6-chloro-purin-9-yl)-2,3-dihydroxy-cyclopentyl] acetate CAS Name: acetic acid [4-(2-acetamido-6-chloro-9-purinyl)-2,3-dihydroxycyclopentyl] ester IUPAC Name: [4-(2-acetamido-6-chloropurin-9-yl)-2,3-dihydroxycyclopentyl] acetate Traditional Name: acetic acid [4-(2-acetamido-6-chloro-purin-9-yl)-2,3-dihydroxy-cyclopentyl] ester Formula: C14H16ClN5O5 MolecularWeight: 369.76034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)Cl)N=CN2C3CC(C(C3O)O)OC(=O)C

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)Cl)N=CN2C3CC(C(C3O)O)OC(=O)C

InChI

InChI=1S/C14H16ClN5O5/c1-5(21)17-14-18-12(15)9-13(19-14)20(4-16-9)7-3-8(25-6(2)22)11(24)10(7)23/h4,7-8,10-11,23-24H,3H2,1-2H3,(H,17,18,19,21)